Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=CC=C(Cl)C=C2)C(=O)C1=O)C1=C(OC)C=CC(OC)=C1
InChIKey
InChIKey=IDIXHTOWZOPXEH-UHFFFAOYSA-N
Formula
C27H21ClN2O6S
Mass
536.98
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Dimethoxybenzenes Benzothiazoles Anisoles Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Enols Azacyclic compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Dimethoxybenzene - P-dimethoxybenzene - 1,3-benzothiazole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - 3-pyrrolidone - 2-pyrrolidone - Benzenoid - Pyrrolidone - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Ketone - Cyclic ketone - Azacycle - Carboxylic acid derivative - Enol - Ether - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available